3-[(E)-2-chloranylethenyl]-5-ethoxycarbonyl-4-methyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 3-[(E)-2-chloranylethenyl]-5-ethoxycarbonyl-4-methyl-1H-pyrrole-2-carboxylic acid Openeye Name: 3-[(E)-2-chlorovinyl]-5-ethoxycarbonyl-4-methyl-1H-pyrrole-2-carboxylic acid CAS Name: 3-[(E)-2-chloroethenyl]-5-ethoxycarbonyl-4-methyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 3-[(E)-2-chloroethenyl]-5-ethoxycarbonyl-4-methyl-1H-pyrrole-2-carboxylic acid Traditional Name: 5-carbethoxy-3-[(E)-2-chlorovinyl]-4-methyl-1H-pyrrole-2-carboxylic acid Formula: C11H12ClNO4 MolecularWeight: 257.67028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C(=O)O)C=CCl)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C(=O)O)/C=C/Cl)C

InChI

InChI=1S/C11H12ClNO4/c1-3-17-11(16)8-6(2)7(4-5-12)9(13-8)10(14)15/h4-5,13H,3H2,1-2H3,(H,14,15)/b5-4+